[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C16H23NO7 — CID 2573383

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H23NO7/c1-20-6-5-17-14(18)10-24-15(19)9-11-7-12(21-2)16(23-4)13(8-11)22-3/h7-8H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyKPRCVUQHGSRHHB-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.56
Rot. Bonds10

About [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 2573383) has the molecular formula C16H23NO7 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID2573383
Molecular FormulaC16H23NO7
Molecular Weight341.36 g/mol
Exact Mass341.15
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H23NO7/c1-20-6-5-17-14(18)10-24-15(19)9-11-7-12(21-2)16(23-4)13(8-11)22-3/h7-8H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyKPRCVUQHGSRHHB-UHFFFAOYSA-N
XLogP0.56
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 4528014
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43045435
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534636
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
CID 8919196
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8008074
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013820
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 5175769

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 2573383) is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COCCNC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is KPRCVUQHGSRHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO7/c1-20-6-5-17-14(18)10-24-15(19)9-11-7-12(21-2)16(23-4)13(8-11)22-3/h7-8H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 341.36 g/mol, XLogP of 0.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 2573383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).